PyCSP: A Python package for the analysis and simplification of chemically reacting systems based on Computational Singular Perturbation

Published: 27 April 2022| Version 1 | DOI: 10.17632/59pw7pvkkb.1
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PyCSP is a Python package for the analysis and simplification of chemically reacting systems, using algorithms based on the Computational Singular Perturbation (CSP) theory. It provides tools for the local characterization of the chemical dynamics, enabled by the recognition of a convenient projection basis which carries out a timescale-based uncoupling. The tools supplied within the package allow one to identify the rate-controlling chemical reactions, the intrinsic chemical timescales, the driving chemical timescale and indicators of the system's explosive or dissipative propensity. Possible applications are the analysis of numerical simulations of reacting flows, and the reduction of chemical kinetics models, based on the CSP information. This manuscript provides a brief overview of the foundations of CSP, a description of the libraries, and demonstrations of the features implemented in PyCSP with code examples, along with practical advices and guidelines for users.

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Computational Physics, Chemical Reaction Kinetics, Combustion

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